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μ(4)-Orthothio-carbonato-tetra-kis-[tri-carbonyl-iron(I)](2 Fe-Fe).

ABSTRACT: The fused bis-butterfly-shaped title compound, [Fe(4)(CS(4))(CO)(12)], possesses an orthothio-carbonate (CS(4) (4-)) ligand that acts as a bridge between two Fe(2)(CO)(6) units. A short intra-molecular S⋯S contact [2.6984 (8) and 2.6977 (8) Å] occurs in each S(2)Fe(2)(CO)(6) fragment.

SUBMITTER: Shi YC

PROVIDER: S-EPMC3246959 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of di-μ-tri-hydro-(penta-fluoro-phenyl)-borato-tetra-kis-(tetra-hydro-furan)-disodium.

Project description:The title compound, [Na(μ-C6F5BH3)(C4H8O)2]2, represents a dimeric structure of sodium and organoborohydride, located about a centre of inversion. The Na⋯B distances of 2.7845 (19) and 2.7494 (18) Å were apparently longer than the Li⋯B distances (2.403-2.537 Å) of the lithium organotri-hydro-borates in the previous reports. Moreover, an inter-action between the sodium atom and one fluorine atom on the 2-position of the benzene ring is observed [Na-F = 2.6373 (12) Å]. In the crystal, the dimeric mol-ecules are stacked along the b-axis via a π-π inter-action between the benzene rings.

| S-EPMC7001818 | biostudies-literature

Tetra-kis[μ<sub>2</sub>-1,1,1,3,3,3-hexa-fluoro-2-(tri-fluoro-meth-yl)propan-2-olato]tetra-kis-(μ<sub>3</sub>-2-methyl-propan-2-olato)octa-copper(I).

Project description:The title compound, [Cu8(C4H9O)4(C4F9O)4], crystallizes in the monoclinic space group, P21/n and contains a self-assembly of two C16H18Cu4F18O4 units linked by bridging tert-butyl groups [Cu-O bonds of length 2.3779 (15) and 2.4248 (15) Å], generating a centrosymmetric dimer. The asymmetrical unit, C16H18Cu4F18O4, contains an almost square-planar arrangement of the four Cu atoms linked by bridging tert-butyl and perfluorinated tert-butyl groups with Cu-Cu distances ranging from 2.7108 (4) to 2.7612 (4) Å and Cu -Cu-Cu angle values close to 90° [ranging from 89.459 (10)° to 90.025 (11)°]. These dimers are further linked by weak C-H⋯F and F⋯F inter-actions. As is commonly encountered in perfluorinated tert-butyl groups, one of the CF3 groups is disordered and was refined with two equivalent conformations with occupancies of 0.74 (3) and 0.26 (3).

| S-EPMC8183444 | biostudies-literature

Crystal structure of tetra-kis-(tetra-hydro-furan-κO)bis-(tri-fluoro-methane-sulfonato-κO)iron(II).

Project description:The title compound, [Fe(CF3SO3)2(C4H8O)4], is octa-hedral with two tri-fluoro-methane-sulfonate ligands in trans positions and four tetra-hydro-furane mol-ecules in the equatorial plane. By the conformation of the ligands the complex is chiral in the crystal packing. The compound crystallizes in the Sohncke space group P212121 and is enanti-omerically pure. The packing of the mol-ecules is determined by weak C-H⋯O hydrogen bonds. The crystal studied was refined as a two-component inversion twin.

| S-EPMC6775732 | biostudies-literature

Tetra-kis(?-pivalato-?O:O')bis-[(2-methyl-pyridine-?N)iron(II)](Fe-Fe).

Project description:The asymmetric unit of the title compound, [Fe(2)(C(5)H(9)O(2))(4)(C(6)H(7)N)(2)], contains one unique Fe-atom site located close to a centre of symmetry which generates the mol-ecular dimer. The two Fe atoms are bridged by four carboxyl-ate groups and are each coordinated by a mol-ecule of 2-picoline. Electron counting and the 18-electron rule suggest that a chemical single bond is likely to exist between the two Fe atoms, which are separated by a distance of 2.8576?(4)?Å. This bond completes an approximately octa-hedral coordination environment around each Fe atom.

| S-EPMC2960810 | biostudies-other

Poly[[diaqua-tetra-kis-(μ(2)-benzene-1,4-di-carbonitrile-κN:N')iron(II)] bis-[tetra-chlorido-ferrate(III)] nitro-methane tetra-solvate].

Project description:In the title compound, {[Fe(II)(C(8)H(4)N(2))(2)(H(2)O)(2)][Fe(III)Cl(4)](2)·4CH(3)NO(2)}(n), the Fe(II) and Fe(III) ions are hexa- and tetra-coordinated, respectively. Each unique benzene-1,4-dicarbonitrile mol-ecule lies across a crystallographic inversion centre and bridges two Fe(II) ions (each situated on an inversion centre), generating two-dimensional (4,4) square grid layers. The tetra-chloridoferrate(III) anions and nitro-methane solvent mol-ecules lie between the square grid layers and are further link to the adjacent layers into a three-dimensional supra-molecular structure through O-H⋯Cl and O-H⋯O hydrogen bonds.

| S-EPMC3274928 | biostudies-literature

Tetra-?3-iodido-tetra-kis-[(tri-n-butyl-phosphane-?P)copper(I)].

Project description:The title complex, [Cu4I4(C12H27P)4], crystallizes with six mol-ecules in the unit cell and with three independent one-third mol-ecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetra-hedron, with I?I distances of 4.471?(1)?Å. Both tetra-hedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetra-hedral structure are capped to the face centers of the Cu-tetra-hedron and vice versa. The Cuface?I distances are 2.18?Å (averaged) and the Iface?Cu distances are 0.78?Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal-bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu?I positions form the axial site. As expected, the n-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of the n-butyl groups were needed to fix alternative discrete disordered positions.

| S-EPMC3998569 | biostudies-literature

Tri-?-ethanethiol-ato-bis-{[?-1,2,3,4-tetra-methyl-5-(trimethyl-silyl)cyclo-penta-dien-yl]iron(II,III)}(Fe-Fe).

Project description:The title complex, [Fe(2)(C(2)H(5)S)(3)(C(12)H(21)Si)(2)], has an unusual Fe(2)S(3) core. The two 1,2,3,4-tetra-methyl-5-(trimethyl-silyl)cyclo-penta-dienyl (Cp') ligands coordinate to the Fe atoms with their C(5) planes perpendicular [dihedral angles = 88.23?(7) and 88.55?(7)°] to the Fe-Fe vector, building two Cp'Fe subunits. These two subunits are bridged by three thiol-ate ligands. There are no significant differences in the coordination geometries between the two Fe atoms. The short Fe-Fe distance of 2.7842?(5)?Å is clear evidence of an inter-metallic bond. Such a diiron-sulfur structure might act as a model of active sites in some metalloproteins.

| S-EPMC2972053 | biostudies-literature

Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].

Project description:In the title binuclear Cu(II) complex, [Cu2(C10H11O2)4(C6H6N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.5990 (5) Å] are bridged by four 2,4,6-tri-methyl-benzoate (TMB) anions. The four nearest O atoms around each Cu(II) cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide mol-ecules at distances of 2.164 (2) and 2.165 (2) Å, respectively. The Cu(II) cations are displaced by -0.2045 (3) and 0.2029 (3) Å from the corresponding planes formed by the nearest four O atoms. In the mol-ecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxyl-ate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)°, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)°. In the crystal, bifurcated N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 Å(3), but there is no solvent mol-ecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).

| S-EPMC4571374 | biostudies-literature

Tetra-kis[2-(benzyl-amino-carbonyl)phenox-ymeth-yl]methane.

Project description:The title compound, C(61)H(56)N(4)O(8), is arranged with all four salicylamide arms disposed in a circular fashion. Each arm has a similar conformation and they are extended so that their terminal groups can fold back. The four carbonyl O atoms are located on the outside of the mol-ecule. The structure is stabilized by intra- and inter-molecular N-H?O hydrogen-bonding inter-actions.

| S-EPMC2959481 | biostudies-literature

Poly[[tetra-kis-(μ-2-anilinobenzoato-κO:O')tetra-μ(1,1,1)-azido-tetra-μ(1,1)-azido-octa-methano-lhexa-nickel(II)] methanol hexa-solvate].

Project description:The crystal structure of the title compound, [Ni(6)(C(13)H(10)NO(2))(4)(N(3))(8)(CH(3)OH)(8)]·6CH(3)OH, consists of a centrosymmetric hexa-nuclear [Ni(II) (6)(C(13)H(10)NO(2))(4)(N(3))(8)(CH(3)OH)(8)] mol-ecule and six methanol solvent mol-ecules. In the hexa-nuclear unit, the six octa-hedrally coordinated Ni(II) atoms are linked by four μ(1,1,1)-azide and four μ(1,1)-azide bridges, forming a face-sharing Ni(6)N(8) tetra-cubane-like unit with four missing corners. The Ni(II) atoms are further bridged by four μ(1,2)-carboxalate groups. Neighbouring hexa-nuclear units are connected via N-H⋯O hydrogen-bonding inter-actions into a three-dimensional structure. Although the H atoms of the methanol OH groups could not be located, O⋯N/O contacts between 2.65 and 2.86 Å suggest that these mol-ecules participate in hydrogen bonding.

| S-EPMC3051959 | biostudies-literature

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